Geometry & MOs

Info

ID:	299507
PubChem CID:	117687109
Reduced:	N2O2F3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-197.45
Dipole, Da:	2.85
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[4-[(4-nitrophenyl)diazenyl]phenyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations